Hydrogen Bond Donor-Acceptor

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Hydrogen Bond Donor-Acceptor (HBDA) calculates atomic hydrogen bond donor and acceptor inclination. HDBA is a useful characteristic in defining ´drug likeness´.

http://www.chemaxon.com/products/calculator-plugins/h-bond-donor-acceptor/

 

AcceptorSiteCount

Calculates molecular hydrogen bond acceptor multiplicity (the sum of atomic multiplicities).

 

DonorSiteCount

Calculates molecular hydrogen bond acceptor / donor multiplicity (the sum of atomic multiplicities).


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